4964-0946 Screening compound: 2-(4-methylphenoxy)-1-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}ethan-1-one

4964-0946 Screening compound: 2-(4-methylphenoxy)-1-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}ethan-1-one
4964-0946 Screening compound: 2-(4-methylphenoxy)-1-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-0946
2-(4-methylphenoxy)-1-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4964-0946

Molecular Formula

C22H26N2O4 (C22 H26 N2 O4)

Compound Name

2-(4-methylphenoxy)-1-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(4-methylphenoxy)-1-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}ethan-1-one

SMILES

Cc(cc1)ccc1OCC(N(CC1)CCN1C(COc1cc(C)ccc1)=O)=O

InChI

InChI=1S/C22H26N2O4/c1-17-6-8-19(9-7-17)27-15-21(25)23-10-12-24(13-11-23)22(26)16-28-20-5-3-4-18(2)14-20/h3-9,14H,10-13,15-16H2,1-2H3

InChI Key

IORYBBOFJPUVDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.58

Polar Surface Area

47.286

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4964-0946 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4964-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-0946?
Check Price and Availability of 4964-0946, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4964-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-0946
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4964-0946 available by request